SCHEMBL7430754

SCHEMBL7430754

O=C(Oc1nc2ccccc2s1)N(S)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ ALOX15 P16050 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HPGD P15428 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5648782 0.83 MEN1 (0.67) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL8795722 0.79 SMN1; SMN2 (0.59) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL10535907 0.77 SMN1; SMN2 (0.54) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL10720726 0.77 SMN1; SMN2 (0.56) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL11684240 0.77 SMN1; SMN2 (0.56) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL6006301 0.76 SMN1; SMN2 (0.56) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL8795716 0.76 SMN1; SMN2 (0.55) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL21629502 0.76 SMN1; SMN2 (0.55) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL27878111 0.75 SMN1; SMN2 (0.58) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL20509384 0.74 SMN1; SMN2 (0.54) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4567267-A α-Phenyl-2-(aza)benzothiazolylthioglycolic acids and derivatives thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1986-01-28 — — US disclosed
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